2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide

C12H17ClN2O3S — CID 81175710

IUPAC2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C12H17ClN2O3S/c1-8(2)6-15-12(16)7-19(17,18)11-4-3-9(13)5-10(11)14/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyYYYKFGGGJRXELD-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.47
Rot. Bonds5

About 2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide

2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide (PubChem CID 81175710) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide
PubChem CID81175710
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C12H17ClN2O3S/c1-8(2)6-15-12(16)7-19(17,18)11-4-3-9(13)5-10(11)14/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyYYYKFGGGJRXELD-UHFFFAOYSA-N
XLogP1.47
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 61368377
2-(2-amino-4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 81175101
5-chloro-2-(2-methylpropylsulfonyl)aniline
CID 81175352
2-(2-amino-5-ethoxyphenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81175778
2-(2-amino-3-methylphenyl)sulfonyl-N-(2-methylpropyl)acetamide
CID 81187306
2-(2-amino-4-fluorophenyl)sulfonyl-N-(3-methylbutyl)acetamide
CID 81184216
2-(2-amino-5-chlorophenyl)sulfonyl-N-(3-methylbutan-2-yl)acetamide
CID 81180693
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150822
2-(2-amino-4-chlorophenyl)sulfonyl-1-morpholin-4-ylethanone
CID 81175966
2-(2,4-dichlorophenyl)sulfonylacetohydrazide
CID 155859240
2-amino-4-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569599

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide (CID 81175710) is 2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CS(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide?
The InChIKey is YYYKFGGGJRXELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-8(2)6-15-12(16)7-19(17,18)11-4-3-9(13)5-10(11)14/h3-5,8H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide?
2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide has a molecular weight of 304.80 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 81175710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).